AMBER Archive (2004)

Subject: Re: AMBER:

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Mon Aug 30 2004 - 16:33:38 CDT

> Does anyone know how to make protonate produce nomenclature for leap in
> the first place.

You could look at the source code.

> Or at least have tleap recognize the original HG nomenclature?

You can use 'addAtomMap' (or similar) to map pdb atom names
to amber template names.

Bill
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